%0 Journal Article
%T COMPUTERIZED SIMULATION OF STRUCTURE OF CRYOLITE MELT<br>
%A XU Chi
%A CHEN Nianyi
%A JIANG Naixiong
%A LI Qingzhi
%A SHEN Shiying
%A <br>
%J 金属学报
%D 1986
%I 
%X The structure of molten cryolite has been investigated by computerized simulation using Monte Carlo method. The radial distribution functions and some parameters describing the local structure of 3NaF·AlF_3 melt at 1283K have been calculated. It is concluded that a part of F~- ions in AlF_6~3-moves away from Al~(3+) ions after the melting of cryolite, forming xNa~+·yF~- clusters with Na~+ ions. The removal of a part of F~- from AlF_6~(3-) makes it disintegrated into some local structures like AlF_4~- or AlF_5~(2-). Some Al~(3+) ions are connected to each other by AlF-Al bridges, forming ionic clusters like Al_2F_7~-, etc. It is also concluded that the distribution of the free space in molten cryolite is not uniform. There are more fissures and holes in xNa~+·yF~- clusters and between AlF_4~- and xNa~+·yF~- clusters.
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=5B3AB970F71A803DEACDC0559115BFCF0A068CD97DD29835&cid=AB188D3B70B071C57EB64E395D864ECE&jid=B061E1135F1CBDEE96CD96C109FEAD65&aid=5E65D93F17174AD94E9BE6C74E078A07&yid=4E65715CCF57055A&vid=BC12EA701C895178&iid=0B39A22176CE99FB&sid=4BB057F167CF3A60&eid=7F5DDA4924737DF5&journal_id=0412-1961&journal_name=金属学报&referenced_num=1&reference_num=1